KEGG   DRUG: Tomivosertib hydrochloride
Entry
D11481                      Drug                                   
Name
Tomivosertib hydrochloride (USAN)
Formula
C17H20N6O2. HCl
Exact mass
376.1415
Mol weight
376.84
Structure
Simcomp
Remark
Chemical structure group: DG03019
Efficacy
Antineoplastic, MAP kinase interacting serine/threonine kinase inhibitor
Target
MKNK [HSA:8569 2872] [KO:K04372]
  Pathway
hsa04010  MAPK signaling pathway
hsa04066  HIF-1 signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CAMK group
    MKNK
     D11481  Tomivosertib hydrochloride (USAN)
Other DBs
CAS: 1849590-02-8
PubChem: 384585457
LinkDB
KCF data

ATOM        26
            1   N5x N    14.0446  -15.0228
            2   C8y C    14.0446  -16.4203
            3   C8x C    15.3023  -17.1190
            4   C8y C    16.4902  -16.4203
            5   N5x N    16.4902  -15.0228
            6   C8x C    15.3023  -14.3241
            7   N1a N    12.8568  -17.1190
            8   N1b N    17.7479  -17.1190
            9   C8y C    18.9357  -16.4203
            10  C8y C    20.1236  -17.1190
            11  N4y N    21.3114  -16.4203
            12  C8y C    21.3114  -15.0228
            13  C8y C    20.1236  -14.3241
            14  C8x C    18.9357  -15.0228
            15  C1z C    22.6390  -16.8395
            16  N1x N    23.4775  -15.7216
            17  C5x C    22.6390  -14.5337
            18  C1x C    21.7307  -17.8178
            19  C1x C    22.1499  -19.2152
            20  C1x C    23.5474  -19.4947
            21  C1x C    24.4557  -18.4466
            22  C1x C    24.0365  -17.1190
            23  O5x O    23.0582  -13.2061
            24  O5x O    20.1236  -18.5165
            25  C1a C    20.1236  -12.9266
            26  X   Cl   26.5300  -16.8000
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 2
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   15  22 1
            26   17  23 2
            27   10  24 2
            28   13  25 1

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